SCHEMBL9713679

SCHEMBL9713679

CCC(C)(CC)c1nnc(NC(=O)c2ccccc2OC)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 6/20 0.65
ALDH1A1 P00352 6/20 0.60
HPGD P15428 4/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 3/20 0.55
MAPT P10636 3/20 0.55
TP53 P04637 2/20 0.55
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.53
PAX8 Q06710 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
USP2 O75604 1/20 0.52
THRB P10828 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9713494 0.87 ALDH1A1 (0.67) NPC1RAB9AALDH1A1HPGDTSHR
SCHEMBL9713316 0.83 MAPT (0.63) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL9713079 0.81 ALDH1A1 (0.52) NPC1RAB9AALDH1A1HPGDTSHR
SCHEMBL9713161 0.81 ALDH1A1 (0.61) NPC1RAB9AALDH1A1HPGDTSHR
SCHEMBL9712817 0.80 SMN1; SMN2 (0.59) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL9712773 0.79 ALDH1A1 (0.59) NPC1RAB9AALDH1A1HPGDTSHR
SCHEMBL9712622 0.79 ALDH1A1 (0.59) NPC1RAB9AALDH1A1HPGDTSHR
SCHEMBL9712828 0.79 ALDH1A1 (0.59) NPC1RAB9AALDH1A1HPGDTSHR
SCHEMBL9713450 0.79 ALDH1A1 (0.50) NPC1RAB9AALDH1A1HPGDTSHR
SCHEMBL9713111 0.79 NPC1 (0.72) NPC1RAB9AALDH1A1HPGDKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed